5-(Penta-16Z,19Z-cosadienyl)-resorcinol
precursor
Showing entry for 5-(Penta-16Z,19Z-cosadienyl)-resorcinol
Identification
- PhytoHub ID
- PHUB002944
- Name
- 5-(Penta-16Z,19Z-cosadienyl)-resorcinol
- Systematic Name
- 5-(Penta-16Z,19Z-cosadienyl)-benzene-1,3-diol
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 456.755
- Monoisotopic Mass
- 456.396730914
- Chemical Formula
- C31H52O2
- IUPAC Name
- 5-[(16E,19E)-pentacosa-16,19-dien-1-yl]benzene-1,3-diol
- InChI Key
- RJHHIBAGASINRF-AVQMFFATSA-N
- InChI Identifier
InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h6-7,9-10,26-28,32-33H,2-5,8,11-25H2,1H3/b7-6+,10-9+
- SMILES
CCCCC\C=C\C\C=C\CCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
- Structure
Structure for 5-(Penta-16Z,19Z-cosadienyl)-resorcinol
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 22
- Polar Surface Area
- 40.46
- Refractivity
- 147.7182
- Polarizability
- 60.34085096928045
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -5.6650579160485925
- pKa (strongest acidic)
- 9.359032641624808
- Number of Rings
- 1
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Alkylresorcinols
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
No food source information available
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available